SCHEMBL854985

SCHEMBL854985

CCCCCCCCc1ccc(NCc2ccc(OCCCC)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.57
ALDH1A1 P00352 2/20 0.57
MAPK1 P28482 2/20 0.57
KMT2A Q03164 2/20 0.57
USP2 O75604 1/20 0.57
LMNA P02545 1/20 0.57
CYP3A4 P08684 1/20 0.57
CASP1 P29466 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
SLCO1B3 Q9NPD5 1/20 0.57
SLCO1B1 Q9Y6L6 1/20 0.57
CACNA1B Q00975 4/20 0.51
SPHK1 Q9NYA1 1/20 0.49
S1PR2 O95136 2/20 0.47
S1PR1 P21453 2/20 0.47
S1PR3 Q99500 2/20 0.47
LPAR2 Q9HBW0 2/20 0.47
KDM4E B2RXH2 1/20 0.47
APP P05067 1/20 0.47
GAA P10253 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9514776 0.94 CACNA1B (0.53) MEN1ALDH1A1MAPK1KMT2AUSP2
SCHEMBL6394149 0.93 CACNA1B (0.50) MEN1ALDH1A1MAPK1KMT2AUSP2
SCHEMBL10931913 0.89 SPHK1 (0.58) ALDH1A1LMNACYP3A4SPHK1S1PR2
SCHEMBL854440 0.88 MAPT (0.60) MEN1ALDH1A1MAPK1KMT2ALMNA
SCHEMBL855509 0.86 MAPT (0.65) MEN1KMT2AGAAMAPT
SCHEMBL9514686 0.86 MAPT (0.58) MEN1ALDH1A1MAPK1KMT2ALMNA
SCHEMBL9164953 0.85 NR5A1 (0.51) MEN1ALDH1A1MAPK1KMT2AUSP2
SCHEMBL9215261 0.85 ALDH1A1 (0.73) MEN1ALDH1A1MAPK1KMT2AUSP2
SCHEMBL9309140 0.85 CACNA1B (0.58) MEN1KMT2ACACNA1BGAAMAPT
SCHEMBL855997 0.85 CACNA1B (0.58) MEN1KMT2ACACNA1BGAAMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1308438-B9 3-SUBSTITUTED UREA DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2012-03-28 EP disclosed
EP-1308438-B1 3-SUBSTITUTED UREA DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2010-10-20 EP disclosed
US-7105567-B2 3-substituted urea derivatives and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2006-09-12 US disclosed
US-20030207939-A1 Novel 3-substituted urea derivatives and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2003-11-06 US disclosed
EP-1308438-A1 3-SUBSTITUTED UREA DERIVATIVES AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2003-05-07 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030207939-A1 Novel 3-substituted urea derivatives and medicinal use thereof C5AR1, C5AR2, C3AR1 MEN1 2053/4885ALDH1A1 2416/4885MAPK1 462/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.